Structure Database (LMSD)
Common Name
Kaempferol 7-methyl ether 3-xylosyl-(1->2)-[rhamnosyl-(1->6)-glucoside]
Systematic Name
Synonyms
3D model of Kaempferol 7-methyl ether 3-xylosyl-(1->2)-[rhamnosyl-(1->6)-glucoside]
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
OIFYUPKGGZALHH-YTXTUVRSSA-N
InChi (Click to copy)
InChI=1S/C33H40O19/c1-11-20(37)24(41)27(44)31(48-11)47-10-18-22(39)25(42)30(52-32-26(43)21(38)16(36)9-46-32)33(50-18)51-29-23(40)19-15(35)7-14(45-2)8-17(19)49-28(29)12-3-5-13(34)6-4-12/h3-8,11,16,18,20-22,24-27,30-39,41-44H,9-10H2,1-2H3/t11-,16+,18+,20-,21-,22+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C(=O)C2C(O)=CC(OC)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
6
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
618.49
Topological Polar Surface Area
303.33
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
19
logP
2.85
Molar Refractivity
178.30
Admin
Created at
-
Updated at
3rd Oct 2021